Ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Ethyl 2-thioureido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate · Ethyl 2-(Carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate · Ethyl 2-[(aminothioxomethyl)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate · Benzo[b]thiophene-3-carboxylic acid, 2-[(aminothioxomethyl)amino]-4,5,6,7-tetrahydro-, ethyl ester

https://huagongshe.com/de/chemical/748421

Molekülstruktur von Ethyl 2-(carbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Identifikatoren & physikalische Daten

CAS No.	105544-62-5
Summenformel	C12H16N2O2S2
Durchschnittliche Molmasse	284,406 g/mol
Monoisotopische Masse	284,06531975 g/mol
SMILES	CCOC(=O)c1c(NC(N)=S)sc2c1CCCC2
InChIKey	QIZMMLSECPIAHV-UHFFFAOYSA-N
PubChem CID	748421
DTXSID	DTXSID60353701

Chemische & physikalische Eigenschaften

Schmelzpunkt	224-226 °C
Siedepunkt	468.1±55.0 °C(Predicted)
Dichte	1.365±0.06 g/cm3(Predicted)
pKa (Säurekonstante)	12.71±0.20(Predicted)